N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide

C15H17NO2 — CID 82767048

IUPACN-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(C#CCCO)c(NC(=O)C2CC2)c1
InChIInChI=1S/C15H17NO2/c1-11-5-6-12(4-2-3-9-17)14(10-11)16-15(18)13-7-8-13/h5-6,10,13,17H,3,7-9H2,1H3,(H,16,18)
InChIKeyYZPQHCPOGOPHSS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.08
Rot. Bonds3

About N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide

N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide (PubChem CID 82767048) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide
PubChem CID82767048
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(C#CCCO)c(NC(=O)C2CC2)c1
InChIInChI=1S/C15H17NO2/c1-11-5-6-12(4-2-3-9-17)14(10-11)16-15(18)13-7-8-13/h5-6,10,13,17H,3,7-9H2,1H3,(H,16,18)
InChIKeyYZPQHCPOGOPHSS-UHFFFAOYSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopropanecarboxamide
CID 60804593
N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]oxolane-3-carboxamide
CID 82766198
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]cyclobutanecarboxamide
CID 82767269
N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]-1,4-dioxane-2-carboxamide
CID 82747691
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 82766659
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 82746849
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopropanecarboxamide
CID 81263993
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxane-3-carboxamide
CID 82766265
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]oxane-2-carboxamide
CID 62214635
N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
CID 82747563
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea
CID 82750019

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide (CID 82767048) is N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide is Cc1ccc(C#CCCO)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide?
The InChIKey is YZPQHCPOGOPHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-5-6-12(4-2-3-9-17)14(10-11)16-15(18)13-7-8-13/h5-6,10,13,17H,3,7-9H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide?
N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82767048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).